CID 59398774

C14H23N3O2 — CID 59398774

IUPAC—
SMILES[CH]C(C)/C=C/CC1CC(=O)N(CCNCCN)C1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)4-3-5-12-10-13(18)17(14(12)19)9-8-16-7-6-15/h1,3-4,11-12,16H,5-10,15H2,2H3/b4-3+
InChIKeyCYLWPBKBKIHNNV-ONEGZZNKSA-N
MW265.36 g/mol
LogP0.20
Rot. Bonds8

About CID 59398774

CID 59398774 (PubChem CID 59398774) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol.

Molecular Properties

Compound NameCID 59398774
PubChem CID59398774
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name—
SMILES[CH]C(C)/C=C/CC1CC(=O)N(CCNCCN)C1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)4-3-5-12-10-13(18)17(14(12)19)9-8-16-7-6-15/h1,3-4,11-12,16H,5-10,15H2,2H3/b4-3+
InChIKeyCYLWPBKBKIHNNV-ONEGZZNKSA-N
XLogP0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze CID 59398774 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride
CID 43607
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(3-methylbutyl)acetamide
CID 3557694
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-pentan-3-ylacetamide
CID 4612203
N-[2-[cyclopent-3-ene-1-carbonyl(methyl)amino]ethyl]cyclopent-3-ene-1-carboxamide
CID 99577743
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 4880516
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-heptan-2-ylacetamide
CID 16250205
N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 42920140
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(4-methylpentyl)pentanamide
CID 45875528
(2S)-2-[(E)-but-2-enyl]-N'-hydroxy-N-[(2R)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanediamide
CID 9923986
3-[(E)-but-2-enyl]pyrrolidine-2,5-dione
CID 19892300
2-(5-Aminopentyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 19939017
3-[(E)-oct-2-enyl]pyrrolidine-2,5-dione
CID 20358484

Frequently Asked Questions

What is the IUPAC name of CID 59398774?
The IUPAC name of CID 59398774 (CID 59398774) is not available.
What is the SMILES notation for CID 59398774?
The canonical SMILES for CID 59398774 is [CH]C(C)/C=C/CC1CC(=O)N(CCNCCN)C1=O.
What is the InChIKey of CID 59398774?
The InChIKey is CYLWPBKBKIHNNV-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)4-3-5-12-10-13(18)17(14(12)19)9-8-16-7-6-15/h1,3-4,11-12,16H,5-10,15H2,2H3/b4-3+.
What are the key properties of CID 59398774?
CID 59398774 has a molecular weight of 265.36 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59398774 is sourced from PubChem (CID 59398774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).